SCHEMBL8020692

SCHEMBL8020692

O=C(Nc1ccc(Nc2ccccc2)cc1)C1CCCCC1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.87
GAA P10253 3/20 0.84
MAPT P10636 3/20 0.84
MEN1 O00255 2/20 0.84
KMT2A Q03164 2/20 0.84
GFER P55789 1/20 0.84
PTPN1 P18031 1/20 0.70
SIRT2 Q8IXJ6 1/20 0.66
KCNK3 O14649 1/20 0.62
KCNK9 Q9NPC2 1/20 0.62
ENPP3 O14638 3/20 0.60
ENPP1 P22413 3/20 0.60
ENPP2 Q13822 2/20 0.60
POLB P06746 1/20 0.58
GRM4 Q14833 1/20 0.58
KDM4E B2RXH2 1/20 0.58
NPC1 O15118 1/20 0.58
LMNA P02545 1/20 0.58
CASP3 P42574 1/20 0.58
RAB9A P51151 1/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1300190 0.93 HPGD (1.00) HPGDGAAMAPTMEN1KMT2A
SCHEMBL19703413 0.93 HPGD (1.00) HPGDGAAMAPTMEN1KMT2A
SCHEMBL4668488 0.91 HPGD (0.96) HPGDGAAMAPTMEN1KMT2A
SCHEMBL19501631 0.90 HPGD (0.87) HPGDGAAMAPTMEN1KMT2A
SCHEMBL31401950 0.88 HPGD (0.83) HPGDGAAMAPTMEN1KMT2A
SCHEMBL2184247 0.88 HPGD (0.89) HPGDGAAMAPTMEN1KMT2A
SCHEMBL28656982 0.88 PTPN1 (0.89) HPGDMAPTMEN1KMT2APTPN1
SCHEMBL125695 0.88 PTPN1 (0.89) HPGDMAPTMEN1KMT2APTPN1
SCHEMBL25730750 0.87 HPGD (0.87) HPGDGAAMAPTMEN1KMT2A
SCHEMBL22678640 0.84 HPGD (0.81) HPGDGAAMAPTMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6030992-A ANTAGONISTS FOR THE BINDING OF NEUROKININ-2 RECEPTOR; SLEEP DISORDERS; BENZIMIDES, 2- OR 3-ALKOXYBENZIMIDES AND 2,3-DIALKOXYBENZIMIDES ELI LILLY AND COMPANY (US) 2000-02-29 US disclosed
US-6025379-A A SUBSTITUTED BENZIMIDAZOLE, TACHYKININ RECEPTOR ANTAGONISTS, ELI LILLY AND COMPANY (US) 2000-02-15 US disclosed
WO-1997031635-A1 METHODS OF TREATING OR PREVENTING SLEEP APNEA ELI LILLY AND COMPANY (US) 1997-09-04 WO disclosed
US-5552426-A NERVOUS SYSTEM DISORDERS USING IMIDAZOLE DERIVITIVES ELI LILLY AND COMPANY (US) 1996-09-03 US disclosed
EP-0694535-A1 Non-peptidyl tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-01-31 EP disclosed